DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:18 UTC
Update Date	2025-03-21 18:05:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058145
Frequency	54.4
Structure
Chemical Formula	C₉H₉ClN₂O₆S
Molecular Mass	307.987
SMILES	NS(=O)(=O)c1cc(C(=O)O)c(NC(=O)CO)cc1Cl
InChI Key	LMZIHBSCXVKKBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	acylaminobenzoic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 4-halobenzoic acids alcohols and polyols aminosulfonyl compounds anilides aryl chlorides benzenesulfonamides benzenesulfonyl compounds benzoic acids benzoyl derivatives carbonyl compounds chlorobenzenes halobenzoic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic oxides organochlorides organopnictogen compounds organosulfonamides secondary carboxylic acid amides vinylogous amides
Substituents	organosulfonic acid or derivatives carbonyl group carboxylic acid organochloride benzoyl n-arylamide organosulfur compound carboxylic acid derivative organohalogen compound organosulfonic acid amide organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid benzenesulfonyl group aryl chloride chlorobenzene alcohol vinylogous amide halobenzoic acid acylaminobenzoic acid or derivatives benzenesulfonamide 4-halobenzoic acid aminosulfonyl compound halobenzoic acid or derivatives carboxamide group aryl halide 4-halobenzoic acid or derivatives aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound halobenzene organooxygen compound

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